6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide

C23H30FN5O2 — CID 156875353

IUPAC6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
SMILESCC(=O)CNC(=O)c1nc(C(C)c2ccc(F)cc2)c(NCCN2CCCC2)nc1C
InChIInChI=1S/C23H30FN5O2/c1-15(30)14-26-23(31)21-17(3)27-22(25-10-13-29-11-4-5-12-29)20(28-21)16(2)18-6-8-19(24)9-7-18/h6-9,16H,4-5,10-14H2,1-3H3,(H,25,27)(H,26,31)
InChIKeyFSEJMJUMVUMVPJ-UHFFFAOYSA-N
MW427.52 g/mol
LogP2.90
Rot. Bonds9

About 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide

6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide (PubChem CID 156875353) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
PubChem CID156875353
Molecular FormulaC23H30FN5O2
Molecular Weight427.52 g/mol
Exact Mass427.24
IUPAC Name6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
SMILESCC(=O)CNC(=O)c1nc(C(C)c2ccc(F)cc2)c(NCCN2CCCC2)nc1C
InChIInChI=1S/C23H30FN5O2/c1-15(30)14-26-23(31)21-17(3)27-22(25-10-13-29-11-4-5-12-29)20(28-21)16(2)18-6-8-19(24)9-7-18/h6-9,16H,4-5,10-14H2,1-3H3,(H,25,27)(H,26,31)
InChIKeyFSEJMJUMVUMVPJ-UHFFFAOYSA-N
XLogP2.90
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
The IUPAC name of 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide (CID 156875353) is 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
The canonical SMILES for 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide is CC(=O)CNC(=O)c1nc(C(C)c2ccc(F)cc2)c(NCCN2CCCC2)nc1C.
What is the InChIKey of 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
The InChIKey is FSEJMJUMVUMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-15(30)14-26-23(31)21-17(3)27-22(25-10-13-29-11-4-5-12-29)20(28-21)16(2)18-6-8-19(24)9-7-18/h6-9,16H,4-5,10-14H2,1-3H3,(H,25,27)(H,26,31).
What are the key properties of 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide?
6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 156875353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).